N-(1-ethylbenzimidazol-5-yl)thiophene-2-carboxamide

C14H13N3OS — CID 828717

IUPACN-(1-ethylbenzimidazol-5-yl)thiophene-2-carboxamide
SMILESCCn1cnc2cc(NC(=O)c3cccs3)ccc21
InChIInChI=1S/C14H13N3OS/c1-2-17-9-15-11-8-10(5-6-12(11)17)16-14(18)13-4-3-7-19-13/h3-9H,2H2,1H3,(H,16,18)
InChIKeyQGVOUAJBODQULU-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.37
Rot. Bonds3

About N-(1-ethylbenzimidazol-5-yl)thiophene-2-carboxamide

N-(1-ethylbenzimidazol-5-yl)thiophene-2-carboxamide (PubChem CID 828717) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(1-ethylbenzimidazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethylbenzimidazol-5-yl)thiophene-2-carboxamide
PubChem CID828717
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC NameN-(1-ethylbenzimidazol-5-yl)thiophene-2-carboxamide
SMILESCCn1cnc2cc(NC(=O)c3cccs3)ccc21
InChIInChI=1S/C14H13N3OS/c1-2-17-9-15-11-8-10(5-6-12(11)17)16-14(18)13-4-3-7-19-13/h3-9H,2H2,1H3,(H,16,18)
InChIKeyQGVOUAJBODQULU-UHFFFAOYSA-N
XLogP3.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-ethylbenzimidazol-5-yl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylbenzimidazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-ethylbenzimidazol-5-yl)thiophene-2-carboxamide (CID 828717) is N-(1-ethylbenzimidazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-ethylbenzimidazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-ethylbenzimidazol-5-yl)thiophene-2-carboxamide is CCn1cnc2cc(NC(=O)c3cccs3)ccc21.
What is the InChIKey of N-(1-ethylbenzimidazol-5-yl)thiophene-2-carboxamide?
The InChIKey is QGVOUAJBODQULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-2-17-9-15-11-8-10(5-6-12(11)17)16-14(18)13-4-3-7-19-13/h3-9H,2H2,1H3,(H,16,18).
What are the key properties of N-(1-ethylbenzimidazol-5-yl)thiophene-2-carboxamide?
N-(1-ethylbenzimidazol-5-yl)thiophene-2-carboxamide has a molecular weight of 271.34 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylbenzimidazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 828717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).